N-(2-octylsulfanylcyclooctylidene)hydroxylamine

C16H31NOS — CID 5152145

IUPACN-(2-octylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-8-11-14-19-16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3
InChIKeyJLAPXXMMNUJNRP-UHFFFAOYSA-N
MW285.50 g/mol
LogP5.63
Rot. Bonds8

About N-(2-octylsulfanylcyclooctylidene)hydroxylamine

N-(2-octylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 5152145) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is N-(2-octylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-octylsulfanylcyclooctylidene)hydroxylamine
PubChem CID5152145
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC NameN-(2-octylsulfanylcyclooctylidene)hydroxylamine
SMILESCCCCCCCCSC1CCCCCCC1=NO
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-8-11-14-19-16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3
InChIKeyJLAPXXMMNUJNRP-UHFFFAOYSA-N
XLogP5.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(2-methylsulfanylcyclooctylidene)hydroxylamine
CID 12447280
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
2-(Ethylthio)cyclooctanone oxime
CID 9602636
(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
CID 141118454
N-[3-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
CID 3258367
N-(2-decylsulfanylcyclooctylidene)hydroxylamine
CID 3435059
N-(2-cyclohexylsulfanylcyclooctylidene)hydroxylamine
CID 3469218
N-(2-decylsulfonylcyclooctylidene)hydroxylamine
CID 3591161
N-[2-(2-hexylsulfanylethylsulfanyl)cyclooctylidene]hydroxylamine
CID 4058319
N-(2-octylsulfonylcyclooctylidene)hydroxylamine
CID 4402279
N-(2-dodecylsulfanylcyclohexylidene)hydroxylamine
CID 4454955

Frequently Asked Questions

What is the IUPAC name of N-(2-octylsulfanylcyclooctylidene)hydroxylamine?
The IUPAC name of N-(2-octylsulfanylcyclooctylidene)hydroxylamine (CID 5152145) is N-(2-octylsulfanylcyclooctylidene)hydroxylamine.
What is the SMILES notation for N-(2-octylsulfanylcyclooctylidene)hydroxylamine?
The canonical SMILES for N-(2-octylsulfanylcyclooctylidene)hydroxylamine is CCCCCCCCSC1CCCCCCC1=NO.
What is the InChIKey of N-(2-octylsulfanylcyclooctylidene)hydroxylamine?
The InChIKey is JLAPXXMMNUJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-3-4-5-8-11-14-19-16-13-10-7-6-9-12-15(16)17-18/h16,18H,2-14H2,1H3.
What are the key properties of N-(2-octylsulfanylcyclooctylidene)hydroxylamine?
N-(2-octylsulfanylcyclooctylidene)hydroxylamine has a molecular weight of 285.50 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-octylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 5152145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).